PDB-5mh3: Crystal structure of a DM9 domain containing protein from Crassos...

Basic information

• Entry: Database: PDB / ID: 5mh3
• Title: Crystal structure of a DM9 domain containing protein from Crassostrea gigas with K43A mutation
• Components: Natterin-3
• Keywords: SUGAR BINDING PROTEIN / beta fold
• Function / homology: DM9 repeat / DM9 repeat / Repeats found in Drosophila proteins. / Natterin-3
• Biological species: Crassostrea gigas (Pacific oyster)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.6 Å
• Authors: Weinert, T. / Warkentin, E. / Pang, G.

Citation

Journal: Front Immunol / Year: 2017
Title: DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum.
Authors: Jiang, S. / Wang, L. / Huang, M. / Jia, Z. / Weinert, T. / Warkentin, E. / Liu, C. / Song, X. / Zhang, H. / Witt, J. / Qiu, L. / Peng, G. / Song, L.

#1: Journal: To Be Published
Title: A DM9 domain containing protein functions as a pattern recognition receptor with novel structural basis in Crassostrea gigas
Authors: Jiang, S. / Huang, M.

History

Deposition	Nov 22, 2016	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Dec 27, 2017	Provider: repository / Type: Initial release

Assembly

Deposited unit

A: Natterin-3

B: Natterin-3

C: Natterin-3

D: Natterin-3

E: Natterin-3

F: Natterin-3

G: Natterin-3

H: Natterin-3

I: Natterin-3

J: Natterin-3

K: Natterin-3

L: Natterin-3

hetero molecules

Summary:

• 187 kDa, 12 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	186,848	24
Polymers	185,743	12
Non-polymers	1,105	12
Water	36,588	2031

1

A: Natterin-3

B: Natterin-3

hetero molecules

Summary:

• defined by author&software
• 31.1 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	31,141	4
Polymers	30,957	2
Non-polymers	184	2
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	2790 Å2
ΔGint	-10 kcal/mol
Surface area	11720 Å2
Method	PISA

2

C: Natterin-3

E: Natterin-3

hetero molecules

Summary:

• defined by author&software
• 31.1 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	31,141	4
Polymers	30,957	2
Non-polymers	184	2
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	2730 Å2
ΔGint	-11 kcal/mol
Surface area	11860 Å2
Method	PISA

3

H: Natterin-3

hetero molecules

D: Natterin-3

hetero molecules

Summary:

• defined by author&software
• 31.1 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	31,141	4
Polymers	30,957	2
Non-polymers	184	2
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	1_565	x,y+1,z	1

Calculated values:

Method	PISA

4

D: Natterin-3

hetero molecules

H: Natterin-3

hetero molecules

Summary:

• defined by author&software
• 31.1 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	31,141	4
Polymers	30,957	2
Non-polymers	184	2
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	1_545	x,y-1,z	1

Calculated values:

Buried area	2760 Å2
ΔGint	-11 kcal/mol
Surface area	11930 Å2
Method	PISA

5

F: Natterin-3

J: Natterin-3

hetero molecules

Summary:

• defined by author&software
• 31.1 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	31,141	4
Polymers	30,957	2
Non-polymers	184	2
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	2740 Å2
ΔGint	-11 kcal/mol
Surface area	11800 Å2
Method	PISA

6

G: Natterin-3

I: Natterin-3

hetero molecules

Summary:

• defined by author&software
• 31.1 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	31,141	4
Polymers	30,957	2
Non-polymers	184	2
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Buried area	2770 Å2
ΔGint	-11 kcal/mol
Surface area	11790 Å2
Method	PISA

7

L: Natterin-3

hetero molecules

K: Natterin-3

hetero molecules

Summary:

• defined by author&software
• 31.1 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	31,141	4
Polymers	30,957	2
Non-polymers	184	2
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	1_565	x,y+1,z	1

Calculated values:

Method	PISA

8

K: Natterin-3

hetero molecules

L: Natterin-3

hetero molecules

Summary:

• defined by author&software
• 31.1 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	31,141	4
Polymers	30,957	2
Non-polymers	184	2
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	1_545	x,y-1,z	1

Calculated values:

Buried area	2800 Å2
ΔGint	-10 kcal/mol
Surface area	11700 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	61.930, 97.960, 101.420
Angle α, β, γ (deg.)	101.34, 107.87, 106.46
Int Tables number	1
Space group name H-M	P1

Components

#1: Protein

A B C D E F G H I J K L
Natterin-3

Details:

Mass: 15478.596 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Crassostrea gigas (Pacific oyster) / Gene: CGI_10011001, CGI_10018577 / Production host: Escherichia coli (E. coli) / References: UniProt: K1QRB6

#2: Chemical

A-201 B-201 C-201 D-201 E-201 F-201 G-201 H-201 I-201 J-201 K-201 L-201
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol

Details:

Mass: 92.094 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₃H₈O₃

#3: Water

ChemComp-HOH / water / Water

Details:

Mass: 18.015 Da / Num. of mol.: 2031 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

• Experiment: Method: X-RAY DIFFRACTION / Number of used crystals: 1

Sample preparation

• Crystal: Density Matthews: 2.88 ų/Da / Density % sol: 57.22 %
• Crystal grow: Temperature: 291.15 K / Method: vapor diffusion, sitting drop; Details: 0.1M Bis-Tris pH 6.0 25%PEG 3350 0.2M Lithium sulphate monohydrate

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: SRS / Beamline: PX10.1 / Wavelength: 1 Å
• Detector: Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 6, 2016
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 1 Å / Relative weight: 1
• Reflection: Resolution: 1.6→20 Å / Num. all: 273332 / Num. obs: 261115 / % possible obs: 95.5 % / Redundancy: 3.5 % / R_merge(I) obs: 0.052 / Net I/σ(I): 16.3
• Reflection shell: Resolution: 1.6→1.65 Å / Redundancy: 3.5 % / R_merge(I) obs: 1.07 / Num. measured obs: 21413 / Num. unique all: 24071 / % possible all: 89

Processing

Software

Name	Version	Classification
PHENIX	(1.10.1_2155: ???)	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: DM9CP

Resolution: 1.6→19.987 Å / SU ML: 0.2 / Cross valid method: THROUGHOUT / σ(F): 1.94 / Phase error: 22.57

	Rfactor	Num. reflection	% reflection
Rfree	0.1964	13054	5 %
Rwork	0.1689	-	-
obs	0.1702	261071	95.68 %

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Refinement step

Cycle: LAST / Resolution: 1.6→19.987 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13092	0	72	2031	15195

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	13508
X-RAY DIFFRACTION	f_angle_d	0.793	18324
X-RAY DIFFRACTION	f_dihedral_angle_d	10.386	7822
X-RAY DIFFRACTION	f_chiral_restr	0.062	1999
X-RAY DIFFRACTION	f_plane_restr	0.005	2359

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
1.6-1.6182	0.3848	373	0.3416	7088	X-RAY DIFFRACTION	82
1.6182-1.6372	0.3395	426	0.3173	8106	X-RAY DIFFRACTION	93
1.6372-1.6572	0.3286	426	0.2974	8076	X-RAY DIFFRACTION	94
1.6572-1.6781	0.3073	428	0.2846	8147	X-RAY DIFFRACTION	95
1.6781-1.7002	0.3223	432	0.2673	8201	X-RAY DIFFRACTION	95
1.7002-1.7235	0.285	439	0.2612	8339	X-RAY DIFFRACTION	95
1.7235-1.7481	0.2836	430	0.2472	8167	X-RAY DIFFRACTION	95
1.7481-1.7742	0.2709	436	0.2389	8281	X-RAY DIFFRACTION	96
1.7742-1.8019	0.264	432	0.2366	8220	X-RAY DIFFRACTION	96
1.8019-1.8314	0.2852	435	0.2262	8252	X-RAY DIFFRACTION	96
1.8314-1.8629	0.2346	436	0.2096	8288	X-RAY DIFFRACTION	96
1.8629-1.8968	0.2217	437	0.1979	8311	X-RAY DIFFRACTION	96
1.8968-1.9332	0.2233	435	0.1895	8274	X-RAY DIFFRACTION	96
1.9332-1.9727	0.218	436	0.1842	8290	X-RAY DIFFRACTION	96
1.9727-2.0155	0.2119	440	0.1772	8356	X-RAY DIFFRACTION	96
2.0155-2.0624	0.202	444	0.1768	8440	X-RAY DIFFRACTION	97
2.0624-2.1139	0.2258	433	0.1779	8222	X-RAY DIFFRACTION	96
2.1139-2.171	0.1996	442	0.1736	8399	X-RAY DIFFRACTION	97
2.171-2.2348	0.2155	439	0.1643	8329	X-RAY DIFFRACTION	97
2.2348-2.3068	0.1918	439	0.1562	8354	X-RAY DIFFRACTION	96
2.3068-2.3891	0.1954	443	0.1569	8415	X-RAY DIFFRACTION	97
2.3891-2.4846	0.2	442	0.1688	8397	X-RAY DIFFRACTION	97
2.4846-2.5975	0.2006	441	0.1633	8384	X-RAY DIFFRACTION	97
2.5975-2.7341	0.1972	443	0.1633	8404	X-RAY DIFFRACTION	97
2.7341-2.9049	0.1845	438	0.1547	8330	X-RAY DIFFRACTION	97
2.9049-3.1284	0.1824	445	0.1529	8442	X-RAY DIFFRACTION	97
3.1284-3.4418	0.1652	444	0.1426	8446	X-RAY DIFFRACTION	98
3.4418-3.9365	0.1438	437	0.1374	8310	X-RAY DIFFRACTION	96
3.9365-4.9472	0.1449	438	0.1228	8313	X-RAY DIFFRACTION	96
4.9472-19.9887	0.1862	445	0.1689	8436	X-RAY DIFFRACTION	98

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°2)	L12 (°2)	L13 (°2)	L22 (°2)	L23 (°2)	L33 (°2)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å2)	T12 (Å2)	T13 (Å2)	T22 (Å2)	T23 (Å2)	T33 (Å2)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	3.8097	1.4047	-1.7369	3.2887	-0.7634	2.0062	-0.0984	0.4719	0.2142	-0.3212	0.1839	0.2657	0.0843	-0.3973	-0.1034	0.2169	0.0024	-0.0605	0.2849	0.0247	0.1984	-4.446	6.2589	8.4974
2	6.691	1.7485	-1.026	2.6956	-2.6009	2.7182	0.0951	-0.3869	-0.4636	0.1476	-0.1691	0.1248	0.1899	-0.0893	0.0028	0.238	0.0315	-0.0065	0.2185	0.0359	0.2313	3.5118	-1.3172	21.5675
3	2.3569	0.044	-0.7802	1.9323	-0.0676	2.7195	-0.0041	0.0599	0.1959	0.022	0.028	0.2654	-0.1159	-0.376	-0.0179	0.1391	0.0291	-0.0346	0.1869	-0.0021	0.1847	-8.2352	8.3668	20.114
4	6.0128	0.6618	-1.368	3.0893	-0.1618	4.5306	-0.0094	0.1537	0.1033	0.0496	0.1185	0.2706	0.2188	-0.7569	-0.1393	0.1901	0.0146	-0.035	0.2186	0.0069	0.234	-10.6137	7.0715	18.0496
5	2.9577	-0.1731	-1.174	2.7012	1.2444	5.3146	0.0542	0.1134	0.3215	0.0067	-0.0444	0.0225	-0.045	0.2992	-0.0435	0.1424	0.037	-0.0006	0.162	0.0125	0.1846	7.5231	13.9257	11.5853
6	2.858	-0.2994	-1.0356	3.3079	-0.6341	3.4292	0.171	-0.2476	0.3361	0.2065	0.0156	0.0842	-0.1953	0.1448	-0.1733	0.1608	0.0136	0.0144	0.1803	-0.0544	0.2017	1.0589	15.816	23.3829
7	4.1782	1.7355	-0.6879	7.3906	-0.7515	3.7727	0.2811	-0.4916	0.2942	0.4075	-0.0773	0.2611	-0.1715	0.0346	-0.2067	0.2071	0.0349	0.022	0.2674	-0.045	0.1972	-3.4509	13.8753	31.5635
8	6.1447	1.1011	-4.5303	2.6173	-1.5051	3.4788	0.0574	-0.2108	0.3117	-0.092	-0.0345	-0.1906	0.0027	0.098	-0.0453	0.2261	-0.007	0.0195	0.1656	-0.052	0.2701	7.5593	17.4025	18.5726
9	2.3206	0.0237	-1.7615	1.6617	-0.4689	3.9493	-0.2892	0.0859	-0.2924	0.0115	-0.0239	0.0369	0.6135	-0.1581	0.2919	0.2896	-0.0096	0.0073	0.1607	-0.021	0.2072	11.0024	-1.9615	2.6699
10	2.907	-0.7506	-0.6315	3.5892	0.7926	2.718	-0.0756	0.0606	-0.0639	-0.07	0.0455	-0.161	0.1469	0.235	0.0265	0.1567	0.0359	-0.0018	0.1527	0.0001	0.1299	19.148	5.9759	2.9111
11	3.1606	1.3	-0.5053	1.3491	-0.2095	2.5304	-0.0544	-0.0328	-0.3184	-0.1853	0.0568	-0.1394	0.1873	0.1084	0.0098	0.1947	0.0327	0.0012	0.1548	-0.0026	0.1563	22.5209	6.3059	-2.4245
12	3.6037	0.6079	-1.8827	3.0475	0.1999	5.0536	-0.3514	0.0705	-0.1921	-0.3455	0.0938	-0.2179	0.4399	0.1975	0.2792	0.2271	0.0765	-0.0007	0.1567	0.0035	0.1566	21.2085	1.0872	-1.918
13	4.0195	1.3574	0.1143	1.6936	0.0035	2.5228	0.0008	-0.3005	-0.046	0.0815	-0.1046	0.0243	0.1059	0.0215	0.0857	0.1965	0.0348	0.0033	0.1544	-0.0038	0.1947	11.9074	2.0781	16.1549
14	2.0199	-0.0686	-0.4511	3.0829	-1.2414	2.6476	0.0125	-0.2949	-0.1012	0.1165	-0.1018	-0.2278	0.1671	0.4231	0.0589	0.147	0.0409	-0.0306	0.2125	0.0081	0.1702	24.5335	5.5721	12.5175
15	2.9513	-0.6878	2.4572	4.4711	-1.1133	4.1841	0.1285	-0.2184	-0.175	0.0178	-0.1072	-0.3546	0.1188	1.0169	0.1084	0.1264	0.0407	-0.014	0.3647	0.015	0.2336	31.5279	9.9959	7.8029
16	7.5536	2.9455	-5.5387	3.0571	-3.7864	6.4634	0.0011	-0.4066	-0.1319	0.3919	-0.0883	-0.1267	-0.0874	0.168	0.0815	0.203	0.0532	-0.0413	0.2176	-0.006	0.1636	18.8397	4.7877	18.416
17	7.7056	-3.1557	2.7623	4.393	-1.3923	3.2163	-0.0833	-0.5197	-0.1043	0.5635	0.0827	0.2297	-0.1707	-0.184	0.0013	0.1977	0.0031	0.0981	0.2614	-0.004	0.2416	27.9892	36.644	20.4279
18	5.2418	-2.8378	2.5128	1.932	-1.728	1.6353	-0.2465	-0.6615	0.032	0.213	0.1974	0.3236	-0.1652	-0.2689	0.0623	0.1789	0.0512	0.0309	0.2856	-0.0184	0.2391	29.3556	45.3519	16.7607
19	3.3677	0.6345	0.503	7.1478	-2.5444	2.1473	0.0291	0.2315	0.101	-0.1847	-0.021	0.3588	-0.4055	-0.0614	-0.0212	0.1731	0.034	0.0213	0.208	0.0109	0.2231	35.5511	47.4382	3.8849
20	2.5207	1.4695	-0.3993	4.0428	-0.4927	2.3037	0.1213	-0.0794	-0.2431	-0.0129	-0.1402	0.3169	0.1606	-0.2247	0.0151	0.1108	0.0104	0.0197	0.2087	-0.0132	0.2678	24.8684	35.0456	9.3335
21	1.0417	0.4578	0.6117	2.4646	1.0562	1.3654	-0.1309	0.1295	0.21	-0.4034	-0.0782	0.9617	-0.2379	-0.2361	0.2458	0.1651	0.0389	-0.0281	0.229	-0.0248	0.3306	23.3316	41.2681	4.5683
22	2.4963	-0.4382	0.1069	2.6575	-0.3098	2.9133	0.1875	0.2938	0.1039	-0.0733	-0.2066	0.5643	-0.0535	-0.3376	0.0151	0.115	0.0467	0.0104	0.2986	-0.0198	0.3224	21.927	39.0532	9.3527
23	1.3331	1.083	1.6163	2.728	2.1752	4.0487	0.045	-0.1028	-0.1444	0.073	0.055	-0.1513	0.1241	0.2476	-0.1211	0.1189	0.0213	0.0164	0.2266	0.013	0.18	40.4805	33.6431	15.9564
24	1.0042	0.7639	0.25	3.0148	-0.5789	1.9357	0.0543	0.1143	-0.088	-0.154	-0.001	-0.0363	0.1451	0.01	-0.0602	0.1323	0.0202	0.0145	0.1919	-0.0318	0.2047	32.636	29.6273	3.1188
25	6.7005	-1.8338	-0.9454	8.9553	1.6516	4.5866	0.0057	0.2241	0.0682	-0.6338	-0.0596	0.4717	-0.2322	-0.2033	0.0175	0.2486	-0.0041	-0.0343	0.2204	-0.0049	0.2262	28.1661	33.5996	-5.4156
26	4.5276	0.3174	5.5232	3.2916	-0.4691	7.7034	0.0419	0.1656	-0.1472	0.0799	-0.0461	-0.2457	0.0248	0.3304	0.0126	0.1097	0.0233	0.0264	0.1569	-0.0125	0.2194	40.4343	29.3095	9.4989
27	2.8975	1.3023	-0.2079	3.7758	0.0275	2.7249	-0.0937	-0.3053	-0.0965	0.3105	0.1841	-0.6298	0.1592	0.273	-0.0665	0.1428	0.0556	-0.0668	0.2267	-0.0187	0.2738	51.9419	-20.8089	21.4043
28	7.827	-1.0678	-0.0928	2.0627	-2.8201	8.2378	0.1469	0.2286	0.8693	-0.3352	-0.1378	0.0237	-0.6358	0.096	0.0049	0.2464	0.0106	0.0006	0.1887	0.0064	0.2315	42.2216	-10.0636	12.3197
29	2.9296	-0.422	-0.3203	3.4119	0.4488	3.5938	-0.0211	-0.4982	0.2378	0.5458	0.1616	-0.2976	-0.0864	0.14	-0.1495	0.2008	0.0366	-0.0347	0.2071	-0.0311	0.1773	45.2044	-12.3105	27.232
30	3.6927	-0.1025	-0.2609	5.7118	1.5668	4.4938	-0.0444	-0.4282	0.4833	0.5117	0.0948	-0.4022	-0.246	0.2967	-0.0945	0.254	0.0149	-0.0636	0.2298	-0.0561	0.2621	48.5914	-12.1198	27.8142
31	4.3863	-1.291	-2.8795	4.4267	2.1682	4.3354	0.0259	0.1747	-0.0219	0.1053	-0.0608	0.1058	0.2263	-0.153	0.0318	0.1465	0.0006	-0.0308	0.1635	0.0215	0.134	39.426	-27.7023	18.0279
32	2.5852	-0.1738	-0.818	3.5593	0.0107	3.8674	-0.03	-0.2208	0.1479	0.3983	0.0448	0.2984	-0.1928	-0.296	-0.0086	0.1809	0.0618	0.0259	0.2277	0.005	0.1598	33.5052	-14.6917	27.0931
33	3.2624	-1.8404	-1.9681	3.5387	4.6778	6.5584	0.0117	-0.0687	-0.1656	-0.0127	0.0195	0.573	0.1792	-0.4677	0.019	0.1238	-0.0091	0.0175	0.2338	0.052	0.1597	33.0142	-24.7566	21.3289
34	2.195	0.671	0.5777	2.3015	-0.472	4.7549	-0.1494	-0.1988	0.2712	0.1739	0.0603	0.1288	-0.4313	-0.1943	0.0984	0.2362	0.0555	0.0074	0.2015	-0.0502	0.2353	43.6442	50.2859	23.476
35	5.5013	-2.1904	-0.2353	7.2981	-1.546	5.6536	-0.0352	-0.3917	-0.4615	0.5768	0.0205	-0.0846	0.1375	0.1542	-0.0101	0.209	-0.0284	-0.0224	0.2326	0.0148	0.2311	46.883	33.4102	24.5628
36	1.9914	0.3863	0.4507	2.1778	-0.1062	3.1894	-0.0489	-0.1955	0.1819	0.1715	0.0025	-0.2108	-0.2233	0.2698	0.0656	0.1781	-0.0212	-0.0025	0.1896	-0.0448	0.1909	55.0856	46.6246	25.3376
37	4.8702	-1.065	1.8293	3.5888	0.2758	5.3105	-0.3741	-0.4328	0.3778	0.4834	0.1683	-0.3289	-0.4	0.0692	0.2516	0.2252	-0.026	-0.0225	0.155	-0.0267	0.1781	53.8948	48.6481	27.7457
38	6.2803	-1.8563	-0.3525	2.8268	-0.0935	2.3751	0.0125	0.1026	-0.0797	-0.1651	-0.0282	0.1691	-0.0558	-0.0628	0.0174	0.1513	-0.0034	-0.0022	0.1316	-0.0089	0.158	44.4381	45.0065	9.9437
39	1.9059	0.4606	-0.1543	2.6035	-1.1958	3.2866	-0.0097	0.1237	-0.0353	-0.1156	-0.0359	-0.2282	0.0566	0.2809	0.0617	0.1162	-0.0039	0.0268	0.1563	-0.0225	0.1791	57.1177	42.449	14.05
40	3.7989	0.852	-1.3364	4.6427	-1.3106	5.2237	-0.1215	-0.1551	-0.1769	0.0452	0.0713	-0.5355	0.2838	0.5018	0.1165	0.1233	0.0266	-0.002	0.2005	-0.0132	0.2567	64.5896	39.496	18.7134
41	8.4332	-1.31	5.5924	1.6635	-3.0132	6.8543	0.1172	0.3641	-0.2305	-0.2009	-0.0358	0.1128	0.1986	0.1126	-0.0424	0.1563	-0.0199	0.0292	0.1622	-0.0295	0.1514	51.4376	42.4007	7.8818
42	1.8331	0.2171	1.163	1.8635	-0.805	5.9498	-0.1798	-0.0857	0.1767	0.1173	0.101	0.0598	-0.5052	-0.2384	0.0771	0.2113	0.0227	-0.0016	0.1658	-0.0232	0.1676	11.1215	18.7608	-20.6782
43	5.2384	-1.1103	-0.6288	6.7433	-1.6223	8.107	0.0065	-0.247	-0.2832	0.3067	-0.0693	-0.1329	0.3395	0.2453	0.0052	0.2644	-0.0708	-0.0058	0.2116	-0.0044	0.2019	14.3706	2.0131	-20.7957
44	1.6691	-0.147	-0.0484	1.8424	-0.6066	3.3024	-0.0596	-0.0835	0.137	0.1926	0.027	-0.1902	-0.2155	0.3063	0.0395	0.1764	-0.0365	0.0067	0.1746	-0.0284	0.1591	22.497	14.738	-18.7462
45	3.5622	-0.4509	1.8109	3.2246	0.2826	6.6283	-0.293	-0.2604	0.1962	0.2126	0.0533	-0.1913	-0.2484	0.1283	0.2862	0.1551	-0.0376	0.0006	0.1491	-0.0053	0.1382	21.2077	16.5696	-16.2202
46	4.8318	-1.7037	-0.2218	2.099	-0.2103	2.4964	-0.0815	0.183	-0.107	-0.2327	-0.0205	0.0141	0.0558	0.0753	0.0805	0.1758	-0.0243	0.0108	0.1357	-0.0128	0.137	12.4235	14.6091	-34.547
47	2.1266	0.1692	-0.0152	2.4565	-0.6118	3.2643	-0.0041	0.2216	-0.0284	-0.1279	-0.0646	-0.3024	0.1286	0.447	0.0829	0.1473	-0.0067	0.0495	0.2011	-0.0132	0.1923	26.8352	11.3165	-29.7609
48	4.5526	0.3139	-0.7568	3.9801	0.6206	7.3333	-0.0182	-0.0665	-0.0307	-0.0062	0.1431	-0.473	0.7832	1.0917	-0.0728	0.2156	0.0972	-0.0003	0.2777	0.0172	0.3148	32.0878	5.6137	-22.8067
49	8.6273	-2.0248	6.6513	2.4866	-3.8483	7.7257	0.0162	0.4347	-0.0687	-0.2381	-0.1256	-0.0897	0.2677	0.1782	0.089	0.19	-0.0404	0.049	0.2002	-0.0104	0.1542	19.4819	12.133	-36.5707
50	3.0699	2.6046	0.2369	4.6852	0.1563	2.4231	-0.0555	-0.0282	-0.1886	0.0509	0.0845	-0.4316	0.0276	0.1265	-0.0085	0.1686	-0.0019	-0.0252	0.1975	0.012	0.2244	54.3917	43.0923	-24.3112
51	5.0026	-1.072	-0.2266	2.3416	-3.4834	6.2244	0.0166	0.2163	0.5575	-0.3186	0.0828	0.36	-0.5113	0.085	-0.0525	0.3242	-0.0345	-0.0589	0.2254	0.028	0.2272	44.2397	53.5302	-33.7592
52	2.6076	0.7121	-0.4857	2.8355	0.1314	1.9	0.0355	-0.218	0.1807	0.0876	-0.0609	0.0257	-0.1654	-0.0242	0.0312	0.1816	-0.0136	-0.0368	0.2029	-0.0014	0.169	48.0681	51.9902	-18.6294
53	3.9762	1.0728	0.5329	4.2854	0.9364	3.0448	-0.0075	-0.1924	0.298	0.3268	0.0052	-0.1678	-0.2183	0.1025	-0.0104	0.2242	-0.035	-0.0288	0.1775	0.0145	0.1548	51.4276	52.1811	-18.2469
54	2.6254	-0.7078	-1.5414	2.7857	1.4285	2.5462	-0.0177	-0.026	-0.1079	-0.128	0.0103	0.2391	0.0098	-0.1624	-0.0052	0.1555	-0.0165	-0.0412	0.1942	0.019	0.1582	41.6722	36.3248	-26.6106
55	2.2014	0.2794	-0.0549	2.8971	-0.1129	3.0442	0.0102	-0.0733	0.2277	0.0108	-0.0236	0.4602	-0.1717	-0.1942	0.0087	0.1298	0.0207	-0.014	0.1977	-0.005	0.2166	36.4231	48.2208	-18.147
56	5.7078	1.2544	-0.7081	6.2726	-0.461	6.9522	-0.1166	-0.3852	1.4475	0.1056	0.1077	0.9219	-0.8495	-0.4084	-0.0894	0.2899	0.0752	-0.0354	0.2218	-0.0084	0.4552	35.992	58.6051	-17.8328
57	1.4516	-0.1941	-1.2422	2.8774	3.8744	5.7871	-0.0108	0.2	0.0336	-0.0213	-0.0547	0.2713	0.0822	-0.3983	0.0317	0.1275	-0.0302	-0.0145	0.2317	0.03	0.1959	35.5111	39.5904	-23.2384
58	2.067	-1.5801	-0.0362	3.62	0.172	2.1924	0.0909	0.1057	0.1701	-0.2801	-0.0133	-0.426	-0.1462	0.2748	-0.0532	0.1334	-0.0055	0.0629	0.2258	-0.0099	0.2759	23.7269	66.9895	3.9582
59	5.4567	1.4019	1.1109	2.0641	-0.8005	4.1738	0.1751	-0.1558	-0.5248	0.1434	-0.199	0.0375	0.3183	0.0115	0.0614	0.1921	0.0234	0.0388	0.2075	0.032	0.2129	13.117	56.7289	13.0733
60	3.5091	0.0897	0.3687	3.3791	-0.7754	5.6932	0.1106	0.3135	-0.0658	-0.4884	0.0256	-0.0767	-0.0385	0.1765	-0.112	0.163	0.0271	0.0254	0.1752	-0.0101	0.1572	16.1006	62.1376	-3.0646
61	3.9015	-0.239	3.7897	2.69	0.4868	7.9922	0.252	0.3817	-0.2695	-0.2521	-0.1492	-0.0923	0.548	0.2759	-0.1618	0.2227	0.0379	-0.007	0.2059	-0.0384	0.2675	16.6881	54.805	-0.0269
62	3.7968	-0.9196	0.197	2.6068	0.8097	3.7528	0.0294	0.4101	-0.5956	-0.3475	-0.049	-0.1966	0.3887	0.2685	-0.022	0.2294	0.0513	0.0785	0.2209	-0.0293	0.2546	19.5983	58.6688	-2.4507
63	4.6132	1.5564	2.7835	3.3616	1.0427	3.8366	0.0066	0.0077	0.2428	-0.0198	-0.0113	0.1187	-0.3295	-0.0263	-0.004	0.1925	0.0068	0.0394	0.1784	-0.0047	0.1613	12.1177	74.9168	7.477
64	1.9492	-0.6324	0.5883	3.788	-0.9619	2.6649	-0.0764	0.0535	-0.0903	-0.2857	0.0855	0.3136	-0.0676	-0.2539	-0.0069	0.1363	-0.0039	-0.0161	0.1781	-0.0037	0.1415	5.9372	65.6767	-0.3089
65	3.8046	-0.0351	1.4793	4.3591	-1.7335	4.8727	0.0619	0.0573	-0.4621	-0.335	0.1305	0.1982	0.3397	-0.2096	-0.2389	0.2048	-0.0339	-0.0468	0.1791	-0.0199	0.2169	2.8542	57.3143	-3.3507
66	1.6978	1.1756	2.1559	2.7235	4.1666	6.4101	-0.0278	-0.1567	0.305	-0.2517	-0.1341	0.3243	-0.475	-0.4431	0.1224	0.1563	0.0586	-0.0001	0.1932	0.0128	0.181	5.468	72.5682	4.2805
67	1.7538	-1.0087	-0.0783	4.1893	0.5981	2.0269	-0.0589	0.2012	0.1973	-0.3329	0.093	-0.2954	-0.2977	0.1196	-0.0226	0.189	-0.0715	0.04	0.256	0.0135	0.2004	52.9596	36.7385	-41.4377
68	6.1215	-1.4236	0.854	9.03	-2.044	6.2467	0.0023	-0.2383	-0.5213	-0.064	-0.0984	0.3698	0.5345	0.1403	0.1528	0.2115	-0.0162	0.0241	0.2449	0.0385	0.1666	43.1765	26.6663	-31.1386
69	1.8633	-0.1149	-0.119	2.2756	-0.4915	5.4673	-0.1142	0.383	-0.1473	-0.408	0.1126	-0.197	-0.0235	0.1284	0.0232	0.1821	-0.047	0.0277	0.2616	-0.0047	0.1272	46.3694	31.2245	-44.7184
70	2.0321	-1.639	0.4749	1.4994	0.2623	7.8181	-0.0862	0.5965	0.0283	-0.6886	0.1005	-0.0205	-0.3987	-0.2749	-0.0171	0.3652	-0.0933	-0.0014	0.321	-0.0045	0.1414	43.7164	30.4248	-50.9179
71	3.4541	-0.2509	1.3821	2.9975	0.0161	3.4919	-0.0935	0.3632	-0.2437	-0.5396	0.1624	-0.0007	0.2086	0.1771	-0.0387	0.2035	-0.0279	0.0023	0.1756	-0.0034	0.1419	45.9693	23.6902	-44.2783
72	3.4499	-0.0293	-0.6229	5.7495	0.5322	3.1216	-0.2359	0.3557	-0.3169	-0.8809	0.3253	-0.2743	0.0711	0.1821	-0.103	0.2793	-0.0328	0.0319	0.2571	-0.0133	0.1046	48.8316	27.4204	-46.9757
73	5.0881	1.6008	2.2365	3.5542	1.179	3.4921	-0.0723	-0.1321	0.2513	-0.044	0.0121	0.2662	-0.3208	-0.1644	0.0583	0.2056	-0.0012	-0.0082	0.1709	0.0284	0.1403	41.4539	44.0626	-37.7717
74	1.4556	-0.2995	0.4206	2.4914	0.1284	2.9266	-0.2172	0.1682	0.0617	-0.5309	0.1413	0.4322	-0.0516	-0.2786	0.0363	0.227	-0.0571	-0.0709	0.2671	0.0308	0.183	35.0269	34.2785	-44.6216
75	3.6865	-1.0148	1.2313	4.4505	-2.1975	4.4064	-0.0837	-0.132	-0.2267	-0.2844	0.1738	0.3718	0.3012	-0.4336	-0.154	0.2978	-0.1018	-0.0781	0.2992	0.0157	0.2442	32.0978	25.5927	-47.0277
76	1.6916	2.2066	1.9684	3.4478	3.5719	4.0769	-0.1399	0.0312	0.2869	0.0264	0.139	0.4695	-0.2447	-0.2724	0.0846	0.2329	0.0158	-0.0395	0.2601	0.052	0.241	34.6788	41.3923	-40.4418
77	3.0632	-0.6546	0.7503	2.8619	-0.4858	1.6318	-0.0746	-0.4099	-0.1613	0.1765	0.0221	0.1703	0.0436	-0.2656	0.0283	0.1763	-0.0167	0.0315	0.2704	0.0032	0.1501	-4.0322	10.1487	-26.9639
78	6.0674	-1.0569	0.4462	2.6164	-2.4567	2.5207	0.028	0.3732	0.3728	-0.0608	-0.1508	0.222	-0.2684	-0.0709	0.1134	0.219	-0.0204	0.0253	0.2062	0.0055	0.214	3.8741	17.4256	-40.3531
79	1.6908	0.3877	0.289	2.8793	0.4986	2.8136	0.0643	0.083	-0.1017	-0.0872	-0.0649	0.3094	0.1232	-0.4387	0.0145	0.1402	-0.0356	0.0213	0.2544	-0.026	0.1892	-8.4397	7.8995	-37.8651
80	1.7737	0.2184	1.1107	3.2859	2.0448	4.0783	0.0864	-0.1306	-0.1904	0.1729	-0.1009	-0.1175	0.2494	0.0878	0.0008	0.1508	-0.0376	-0.002	0.208	0.0338	0.1476	8.1871	2.6999	-29.6486
81	1.6816	0.3067	0.9363	2.9468	0.1299	3.2351	0.1723	0.1576	-0.1749	-0.0982	-0.0782	0.0143	0.2508	-0.0308	-0.0875	0.1923	-0.0103	0.0122	0.1788	-0.035	0.1545	0.8455	-0.172	-42.9815
82	5.4241	-2.791	-0.7233	6.4093	1.9031	3.2993	0.3399	0.629	-0.2899	-0.6092	-0.4331	0.2735	0.1104	-0.2407	0.0801	0.2758	-0.0189	-0.0137	0.3002	-0.0173	0.166	-3.2815	4.4427	-51.3709
83	5.6456	-0.4183	4.4136	2.7113	-0.5142	3.4281	0.1804	-0.0202	-0.2114	0.0974	-0.0905	-0.2586	0.1296	0.0135	-0.0368	0.2476	-0.0071	-0.0014	0.1569	-0.0191	0.2435	8.3745	-1.0522	-36.4281
84	3.0541	0.8596	-1.6328	2.295	-0.8373	2.3509	-0.1556	0.4369	0.1126	-0.2152	0.1244	0.0422	0.0803	-0.2846	0.0187	0.327	-0.0158	-0.047	0.278	0.0331	0.1819	26.1635	-23.9861	-38.4484
85	5.5519	1.021	-1.7613	8.8879	-4.2891	2.4112	-0.039	-0.281	-0.4554	0.3169	0.0678	0.1718	0.2421	-0.1303	-0.0268	0.3146	0.0017	-0.0061	0.1972	0.0282	0.2198	33.9503	-31.6283	-25.0819
86	2.2545	-0.1441	-0.6464	1.8358	0.0054	2.6083	0.1054	0.0186	0.0938	-0.0598	-0.0328	0.2203	-0.0187	-0.2401	-0.0848	0.2391	-0.0144	-0.022	0.2022	0.019	0.1971	22.1428	-22.2047	-26.5707
87	5.9648	0.9153	-1.6689	3.423	-0.1748	3.5895	0.0972	0.3557	0.1634	0.0924	0.1378	0.3098	0.1032	-0.6055	-0.2293	0.2349	0.01	-0.024	0.1603	0.026	0.2267	19.7824	-23.5732	-28.7256
88	2.1851	0.0472	-1.2778	2.752	1.3788	5.235	0.0883	0.1245	0.1703	-0.0355	0.0317	-0.1344	-0.1512	0.1433	-0.15	0.2205	0.021	-0.0258	0.176	0.0263	0.1694	37.7273	-16.642	-35.3893
89	2.8069	0.1511	-0.7625	2.7578	-0.8532	2.3957	0.1082	-0.085	0.271	0.1317	-0.0025	-0.0335	-0.2748	0.0411	-0.102	0.2662	-0.003	-0.0131	0.126	-0.0248	0.1544	31.2069	-14.4954	-23.5337
90	3.2016	0.8613	-0.1428	8.6364	-1.6237	3.4654	0.1754	-0.3145	0.1749	0.6748	-0.0124	0.1177	-0.274	-0.0521	-0.1473	0.3041	-0.0113	-0.0029	0.2254	-0.0294	0.1648	26.9301	-16.5496	-15.3105
91	6.885	0.8056	-5.2559	2.2707	-0.6797	3.927	0.0342	-0.0774	0.2338	0.1554	-0.0052	-0.2768	-0.1237	0.1808	-0.0512	0.2944	-0.0158	-0.0125	0.1379	-0.018	0.2326	37.6896	-12.9352	-28.4851
92	1.969	0.1027	-1.4628	1.0374	-0.858	4.0251	-0.1848	0.1369	-0.337	-0.125	0.0232	-0.0693	0.6289	-0.0905	0.1361	0.3752	-0.0445	0.0005	0.1837	-0.0362	0.2359	13.9171	61.4844	-44.2207
93	5.7567	-0.3698	1.4658	6.4883	-0.9284	7.0924	0.0026	0.3333	0.3656	-0.4812	0.1098	-0.1212	-0.8138	0.1641	-0.1316	0.3207	0.0165	0.0211	0.1697	0.0093	0.1886	15.9956	78.4459	-44.3071
94	3.394	0.8917	-0.904	2.1076	0.3364	2.4588	-0.1527	0.0773	-0.4378	-0.0726	0.1225	-0.3726	0.2057	0.1658	0.0384	0.2286	0.0227	-0.0148	0.1475	-0.0249	0.2256	25.075	66.3393	-46.0439
95	4.6753	0.5734	-2.135	3.3214	0.5252	5.149	-0.3044	0.3131	-0.3272	-0.4595	0.1641	-0.1251	0.5006	0.0716	0.1997	0.2706	0.0492	-0.0009	0.1692	-0.0156	0.2293	23.9038	64.2781	-48.5397
96	6.4901	2.2701	-0.91	2.7594	-0.3715	3.2137	0.0972	-0.3307	-0.0361	0.3732	-0.1875	0.1363	0.23	0.1806	0.0815	0.2629	0.0038	0.0054	0.1269	0.0202	0.173	14.6635	65.8283	-30.5159
97	3.9454	-0.3545	-1.238	3.3951	-1.1914	3.2648	0.0911	-0.5292	-0.1916	0.1989	-0.1517	-0.2624	0.03	0.4357	0.0383	0.1881	-0.0115	-0.0595	0.2231	0.0186	0.2204	27.1604	69.5168	-34.294
98	5.0833	-0.2679	1.0023	5.7874	-1.7618	7.4132	0.2286	-0.3574	-0.2293	0.2287	-0.1385	-0.4198	-0.046	0.6529	-0.0484	0.1524	-0.0187	-0.0395	0.2542	-0	0.229	34.0448	73.9924	-39.3141
99	8.114	1.592	-6.015	1.5389	-2.4922	6.2368	0.0845	-1.0275	-0.1608	0.3624	-0.2778	-0.2459	-0.1071	0.4395	0.1767	0.2577	-0.0078	-0.0761	0.3165	0.0308	0.1771	21.5409	68.7786	-28.3316

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 17 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 18 through 26 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 27 through 57 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 58 through 69 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 70 through 84 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 85 through 116 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 117 through 134 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 135 through 143 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 1 through 17 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 18 through 44 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 45 through 57 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 58 through 69 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 70 through 84 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 85 through 116 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 117 through 134 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 135 through 143 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 1 through 8 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 9 through 17 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 18 through 26 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 27 through 44 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 45 through 57 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 58 through 69 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 70 through 84 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 85 through 126 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 127 through 134 )
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 135 through 143 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 1 through 17 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 18 through 26 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 27 through 57 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 58 through 69 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 70 through 84 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 85 through 134 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 135 through 143 )
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 1 through 17 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 18 through 26 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 27 through 57 )
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 58 through 69 )
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 70 through 84 )
39	X-RAY DIFFRACTION	39	chain 'E' and (resid 85 through 116 )
40	X-RAY DIFFRACTION	40	chain 'E' and (resid 117 through 134 )
41	X-RAY DIFFRACTION	41	chain 'E' and (resid 135 through 143 )
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 1 through 17 )
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 18 through 26 )
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 27 through 57 )
45	X-RAY DIFFRACTION	45	chain 'F' and (resid 58 through 69 )
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 70 through 84 )
47	X-RAY DIFFRACTION	47	chain 'F' and (resid 85 through 126 )
48	X-RAY DIFFRACTION	48	chain 'F' and (resid 127 through 134 )
49	X-RAY DIFFRACTION	49	chain 'F' and (resid 135 through 143 )
50	X-RAY DIFFRACTION	50	chain 'G' and (resid 1 through 17 )
51	X-RAY DIFFRACTION	51	chain 'G' and (resid 18 through 26 )
52	X-RAY DIFFRACTION	52	chain 'G' and (resid 27 through 57 )
53	X-RAY DIFFRACTION	53	chain 'G' and (resid 58 through 69 )
54	X-RAY DIFFRACTION	54	chain 'G' and (resid 70 through 84 )
55	X-RAY DIFFRACTION	55	chain 'G' and (resid 85 through 126 )
56	X-RAY DIFFRACTION	56	chain 'G' and (resid 127 through 134 )
57	X-RAY DIFFRACTION	57	chain 'G' and (resid 135 through 143 )
58	X-RAY DIFFRACTION	58	chain 'H' and (resid 1 through 17 )
59	X-RAY DIFFRACTION	59	chain 'H' and (resid 18 through 26 )
60	X-RAY DIFFRACTION	60	chain 'H' and (resid 27 through 44 )
61	X-RAY DIFFRACTION	61	chain 'H' and (resid 45 through 57 )
62	X-RAY DIFFRACTION	62	chain 'H' and (resid 58 through 69 )
63	X-RAY DIFFRACTION	63	chain 'H' and (resid 70 through 84 )
64	X-RAY DIFFRACTION	64	chain 'H' and (resid 85 through 116 )
65	X-RAY DIFFRACTION	65	chain 'H' and (resid 117 through 134 )
66	X-RAY DIFFRACTION	66	chain 'H' and (resid 135 through 143 )
67	X-RAY DIFFRACTION	67	chain 'I' and (resid 1 through 17 )
68	X-RAY DIFFRACTION	68	chain 'I' and (resid 18 through 26 )
69	X-RAY DIFFRACTION	69	chain 'I' and (resid 27 through 35 )
70	X-RAY DIFFRACTION	70	chain 'I' and (resid 36 through 44 )
71	X-RAY DIFFRACTION	71	chain 'I' and (resid 45 through 57 )
72	X-RAY DIFFRACTION	72	chain 'I' and (resid 58 through 69 )
73	X-RAY DIFFRACTION	73	chain 'I' and (resid 70 through 84 )
74	X-RAY DIFFRACTION	74	chain 'I' and (resid 85 through 116 )
75	X-RAY DIFFRACTION	75	chain 'I' and (resid 117 through 134 )
76	X-RAY DIFFRACTION	76	chain 'I' and (resid 135 through 143 )
77	X-RAY DIFFRACTION	77	chain 'J' and (resid 1 through 17 )
78	X-RAY DIFFRACTION	78	chain 'J' and (resid 18 through 26 )
79	X-RAY DIFFRACTION	79	chain 'J' and (resid 27 through 69 )
80	X-RAY DIFFRACTION	80	chain 'J' and (resid 70 through 84 )
81	X-RAY DIFFRACTION	81	chain 'J' and (resid 85 through 126 )
82	X-RAY DIFFRACTION	82	chain 'J' and (resid 127 through 134 )
83	X-RAY DIFFRACTION	83	chain 'J' and (resid 135 through 143 )
84	X-RAY DIFFRACTION	84	chain 'K' and (resid 1 through 17 )
85	X-RAY DIFFRACTION	85	chain 'K' and (resid 18 through 26 )
86	X-RAY DIFFRACTION	86	chain 'K' and (resid 27 through 57 )
87	X-RAY DIFFRACTION	87	chain 'K' and (resid 58 through 69 )
88	X-RAY DIFFRACTION	88	chain 'K' and (resid 70 through 84 )
89	X-RAY DIFFRACTION	89	chain 'K' and (resid 85 through 116 )
90	X-RAY DIFFRACTION	90	chain 'K' and (resid 117 through 134 )
91	X-RAY DIFFRACTION	91	chain 'K' and (resid 135 through 143 )
92	X-RAY DIFFRACTION	92	chain 'L' and (resid 1 through 17 )
93	X-RAY DIFFRACTION	93	chain 'L' and (resid 18 through 26 )
94	X-RAY DIFFRACTION	94	chain 'L' and (resid 27 through 57 )
95	X-RAY DIFFRACTION	95	chain 'L' and (resid 58 through 69 )
96	X-RAY DIFFRACTION	96	chain 'L' and (resid 70 through 84 )
97	X-RAY DIFFRACTION	97	chain 'L' and (resid 85 through 116 )
98	X-RAY DIFFRACTION	98	chain 'L' and (resid 117 through 134 )
99	X-RAY DIFFRACTION	99	chain 'L' and (resid 135 through 143 )